SCHEMBL1978052

SCHEMBL1978052

C=CCOc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.52
HSPB1 P04792 5/20 0.47
ALDH1A1 P00352 4/20 0.44
HIF1A Q16665 1/20 0.44
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 1/20 0.38
PDE7A Q13946 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3696729 0.85 S1PR4 (0.56) S1PR4HSPB1ALDH1A1HIF1ARAB9A
SCHEMBL10714683 0.83 ALDH1A1 (0.52) HSPB1ALDH1A1HIF1ATDP1MAPT
SCHEMBL29749978 0.83 ALDH1A1 (0.52) HSPB1ALDH1A1HIF1ATDP1MAPT
SCHEMBL2090198 0.83 S1PR4 (0.56) S1PR4HSPB1ALDH1A1HIF1ARAB9A
SCHEMBL8124812 0.82 GAA (0.41) S1PR4ALDH1A1RAB9ATDP1MAPT
SCHEMBL16711719 0.82 MAPT (0.54) ALDH1A1RAB9ATDP1MAPTKMT2A
SCHEMBL5937107 0.82 GPR35 (0.47) ALDH1A1RAB9ATDP1KMT2AGAA
SCHEMBL27452313 0.82 HTT (0.41) ALDH1A1RAB9ATDP1MAPTKMT2A
SCHEMBL4321242 0.81 ERN1 (0.50) ALDH1A1RAB9ATDP1MAPTKMT2A
SCHEMBL4359591 0.81 HTT (0.54) ALDH1A1RAB9ATDP1MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227501-B2 1,6-dihydro-2H-3-oxa-6-aza-as-indacene compounds FERRER INTERNACIONAL, S.A. (ES) 2012-07-24 US disclosed
US-8227501-B2 1,6-dihydro-2H-3-oxa-6-aza-as-indacene compounds FERRER INTERNACIONAL, S.A. (ES) 2012-07-24 US disclosed
US-8227501-B2 1,6-dihydro-2H-3-oxa-6-aza-as-indacene compounds FERRER INTERNACIONAL, S.A. (ES) 2012-07-24 US disclosed
EP-2350088-A1 1,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS Ferrer Internacional, S.A. (ES) 2011-08-03 EP disclosed
US-20110144178-A1 1 ,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 2011-06-16 US disclosed
US-20110144178-A1 1 ,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 2011-06-16 US disclosed
US-20110144178-A1 1 ,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 2011-06-16 US disclosed
WO-2010012789-A1 1,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS FERRER INTERNACIONAL S. A. (ES) 2010-02-04 WO disclosed
WO-2010012789-A1 1,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS FERRER INTERNACIONAL S. A. (ES) 2010-02-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110144178-A1 1 ,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS MTNR1A, MTNR1B, ADORA2A S1PR4 1164/4885HSPB1 3668/4885ALDH1A1 220/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.